Tetraethyl methylenediphosphonate

C9H22O6P2CAS 1660-94-2288.22 g/mol

Open in Covalent MOL file
OPOPOOOO
Phosphonate

Properties

Molecular formula
C9H22O6P2
Molar mass
288.22 g/mol
Exact mass
288.0892 Da
Density
1.167 g/mL (at 20 °C)
Boiling point
143 °C (at 1.5 Torr)
logP
3.48Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1660-94-2
SMILES
CCOP(=O)(CP(=O)(OCC)OCC)OCC
InChIKey
STJWVOQLJPNAQL-UHFFFAOYSA-N
InChI
InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • Phosphonic acid, P,P′-methylenebis-, P,P,P′,P′-tetraethyl ester
  • Phosphonic acid, methylenedi-, tetraethyl ester
  • Phosphonic acid, methylenebis-, tetraethyl ester
  • Methylenebis(diethoxyphosphine oxide)
  • Methylenediphosphonic acid tetraethyl ester
  • Bis(diethylphosphono)methane
  • Tetraethyl methylenebisphosphonate
  • Methanediphosphonic acid tetraethyl ester
  • Methylenebis(diethyl phosphonate)
  • Methylenebis(phosphonic acid) tetraethyl ester
  • Tetraethyl methylidenebisphosphonate
  • NSC 133889
  • 1-[Diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane

Work with Tetraethyl methylenediphosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tetraethyl ethylenediphosphonate995-32-470 % similar Diethyl ethylphosphonate78-38-667 % similar Diethyl propylphosphonate18812-51-664 % similar Diethyl P-(iodomethyl)phosphonate10419-77-961 % similar Diethyl P-(hydroxymethyl)phosphonate3084-40-061 % similar Diethyl butylphosphonate2404-75-356 % similar Diethyl P-(cyanomethyl)phosphonate2537-48-656 % similar Diethyl P-[(methylthio)methyl]phosphonate28460-01-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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